2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide

C14H14BrN3O2 — CID 107284633

IUPAC2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide
SMILESCc1ccc(Br)cc1Oc1nccc(C)c1/C(N)=N/O
InChIInChI=1S/C14H14BrN3O2/c1-8-3-4-10(15)7-11(8)20-14-12(13(16)18-19)9(2)5-6-17-14/h3-7,19H,1-2H3,(H2,16,18)
InChIKeyQRKNGODOQSJWMJ-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.35
Rot. Bonds3

About 2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide

2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide (PubChem CID 107284633) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide
PubChem CID107284633
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide
SMILESCc1ccc(Br)cc1Oc1nccc(C)c1/C(N)=N/O
InChIInChI=1S/C14H14BrN3O2/c1-8-3-4-10(15)7-11(8)20-14-12(13(16)18-19)9(2)5-6-17-14/h3-7,19H,1-2H3,(H2,16,18)
InChIKeyQRKNGODOQSJWMJ-UHFFFAOYSA-N
XLogP3.35
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide (CID 107284633) is 2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide is Cc1ccc(Br)cc1Oc1nccc(C)c1/C(N)=N/O.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide?
The InChIKey is QRKNGODOQSJWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-8-3-4-10(15)7-11(8)20-14-12(13(16)18-19)9(2)5-6-17-14/h3-7,19H,1-2H3,(H2,16,18).
What are the key properties of 2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide?
2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide has a molecular weight of 336.19 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenoxy)-N'-hydroxy-4-methylpyridine-3-carboximidamide is sourced from PubChem (CID 107284633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).